2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol

C11H11NOS — CID 14735589

IUPAC2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol
SMILESOC1CSc2[nH]c3ccccc3c2C1
InChIInChI=1S/C11H11NOS/c13-7-5-9-8-3-1-2-4-10(8)12-11(9)14-6-7/h1-4,7,12-13H,5-6H2
InChIKeyAIARBSYBQVXFBE-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.18
Rot. Bonds

About 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol

2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol (PubChem CID 14735589) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol.

Molecular Properties

Compound Name2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol
PubChem CID14735589
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol
SMILESOC1CSc2[nH]c3ccccc3c2C1
InChIInChI=1S/C11H11NOS/c13-7-5-9-8-3-1-2-4-10(8)12-11(9)14-6-7/h1-4,7,12-13H,5-6H2
InChIKeyAIARBSYBQVXFBE-UHFFFAOYSA-N
XLogP2.18
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol?
The IUPAC name of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol (CID 14735589) is 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol.
What is the SMILES notation for 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol?
The canonical SMILES for 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol is OC1CSc2[nH]c3ccccc3c2C1.
What is the InChIKey of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol?
The InChIKey is AIARBSYBQVXFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-7-5-9-8-3-1-2-4-10(8)12-11(9)14-6-7/h1-4,7,12-13H,5-6H2.
What are the key properties of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol?
2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol has a molecular weight of 205.28 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-3-ol is sourced from PubChem (CID 14735589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).